Short- and long-range structure correlations with ionic transport near the glass transition for lithium-ion polyacrylonitrile-based electrolytes using DMSO plasticizer

Electrical Properties of Polyvinylidene fluoride‐H3PO2 Protonic Conductor; a Novel Electrolyte for Use in Fuel Cells

“…In the Nyquist plots shown in Figure 1, it is possible to observe two well‐defined regions: a linear part associated with the effects of the blocking electrodes, caused by the impossibility of penetration of the ions to the electrode, [ 11 ] and the semicircular part associated with resistive and capacitive effects occurred in the volume of the sample. [ 12 ] These diagrams show the change in the resistance of a PVDF‐H 3 PO 2 sample with x = 30% wt concentration, when the % RH around of sample is changed. Similar behaviors are observed for other studied concentrations.…”

Hybrid Organic-Inorganic Materials and Interfaces With Mixed Ionic-Electronic Transport Properties: Advances in Experimental and Theoretical Approaches

“…To have direct insight on ionic transport for h OI materials and interfaces, larger-scale approaches using non-atomistic or atomistic calculations including organic oligomers and inorganic clusters or surfaces are necessary. MD can provide rich information about ion diffusion and transport directly from the trajectories but these calculations need to be conducted over sufficiently long time scales ( Webb et al, 2015 ; Deng et al, 2016 ; Sun et al, 2016 ; Mogurampelly et al, 2017 ; Pignanelli et al, 2017 ; Xue et al, 2017 ; Patra et al, 2019 ; Pignanelli et al, 2021 ). However, such long-time scales are highly demanding for AIMD and this first-principle approach is rare in large systems (such as amorphous solids) and it is more usually performed for relatively small crystalline systems ( Jalem et al, 2013 ; Meier et al, 2014 ; Mo et al, 2014 ).…”

“…Furthermore, other first-principles calculations based on the nudged elastic band (NEB) method are also commonly used to determine the barrier of the ionic migration but it is also particularly useful for inorganic crystalline systems ( Ong et al, 2011 ; Shi et al, 2012 ; Mo et al, 2014 ; Bachman et al, 2015 ; Moriwake et al, 2015 ; Zhang et al, 2018 ). Nonetheless, the vast majority of lithium-ion transport calculations are solely within the bulk of organic ( Webb et al, 2015 ; Sun et al, 2016 ; Mogurampelly et al, 2017 ; Pignanelli et al, 2017 ; Xue et al, 2017 ; Patra et al, 2019 ; Pignanelli et al, 2021 ) or inorganic ( Ong et al, 2011 ; Shi et al, 2012 ; Mo et al, 2014 ; Bachman et al, 2015 ; Moriwake et al, 2015 ; Deng et al, 2016 ; Zhang et al, 2018 ) phases, but still rarely for h OI materials and interfaces ( Li et al, 2016 ; Pignanelli et al, 2018a ; Li et al, 20202020 ). Recently, there have been interesting approaches based on AIMD and NEB calculations studying the solid electrolyte interface (SEI) comprising organic oligomers and metallic lithium electrodes ( Yildirim et al, 2017 ; Merinov et al, 2019 ; Ramasubramanian et al, 2019 ; Merinov et al, 2020 ).…”

Miktoarm PEG–PCL Star Copolymer (AB6) Blend Composite Solid Electrolyte for All-Solid-State Lithium Metal Battery

“…One problem that has to be urgently resolved for constructing advanced solid polymer electrolytes (SPEs) is the inert movement of PEO chain segments causing poor ionic conductivity. , The molecular repeat unit (−CH 2 –CH 2 –O−) in PEO shows chelating complexation with Li + , and Li + dominantly solvate with ether oxygen atoms along polymer chains. , Solid PEO is semicrystalline, consisting of crystalline/aggregate domains . LiTFSI infiltrates into both crystalline and amorphous domains, but the migration of Li + depends on the interaction between the chain segments in the amorphous phase. , Thus, one strategy to achieve fast ion transport in low- T g PEO-based SPEs is to suppress the poorly conducting crystalline domains and decouple the ionic motion from the polymer relaxation in the crystalline polymer system. , Many strategies, including the introduction of lithium-ion-conductive ceramic fillers and inorganic inert fillers, designing block/cross-linked/graft copolymer segment structures, the addition of organic plasticizers, and the use of polymer blends, have been attempted to enhance the ionic conductivity. − Among these methods, blending PEO-based solid polymer electrolytes (SPEs) with polymer additives may be an effective way to facilitate ion transport by developing an amorphous phase for the semicrystalline host polymer matrix . For blend polymer electrolytes, the molecular architecture of the blend phase could have a significant impact on the mechanical properties, ionic conductivity, and other properties of composite solid polymer electrolytes (CPEs). , Particularly, the structure of star polymers consists of a cross-linked core covered by some linear arms .…”

“…18,19 Thus, one strategy to achieve fast ion transport in low-T g PEO-based SPEs is to suppress the poorly conducting crystalline domains and decouple the ionic motion from the polymer relaxation in the crystalline polymer system. 20,21 Many strategies, including the introduction of lithium-ion-conductive ceramic fillers and inorganic inert fillers, designing block/cross-linked/graft copolymer segment structures, the addition of organic plasticizers, and the use of polymer blends, have been attempted to enhance the ionic conductivity. 22−24 Among these methods, blending PEO-based solid polymer electrolytes (SPEs) with polymer additives may be an effective way to facilitate ion transport by developing an amorphous phase for the semicrystalline host polymer matrix.…”